(3a,5b,6a,12a)-3,6,12-trihydroxy-Cholan-24-oic acid (CAS 21066-18-2) — formula C24H40O5, molecular weight 408.6; category organic chemicals.
| CAS Number | 21066-18-2 |
|---|---|
| Molecular Formula | C24H40O5 |
| Molecular Weight | 408.6 |
| LogP | 2.8 |
| Category | Organic Chemicals |
(3a,5b,6a,12a)-3,6,12-trihydroxy-Cholan-24-oic acid is a carbon-based organic compound with CAS registry number 21066-18-2 and molecular formula C24H40O5 (molecular weight 408.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 21066-18-2
Its molecular formula C24H40O5 comprises 24 C, 40 H, 5 O atoms.
Also known as: (3a,5b,6a,12a)-3,6,12-trihydroxy-Cholan-24-oic acid · (3a,5b,6a,12a)-3,6,12-三羟基-胆烷-24-油酸
Category: organic chemicals
The CAS registry number of (3a,5b,6a,12a)-3,6,12-trihydroxy-Cholan-24-oic acid is 21066-18-2.
Molecular formula C24H40O5, molecular weight 408.6.
It is also registered under: (3a,5b,6a,12a)-3,6,12-trihydroxy-Cholan-24-oic acid, (3a,5b,6a,12a)-3,6,12-三羟基-胆烷-24-油酸.
Category: Organic Chemicals.
Independent reference data for (3a,5b,6a,12a)-3,6,12-trihydroxy-Cholan-24-oic acid (CAS 21066-18-2), compiled from public chemistry databases.
| CAS 号 | 21066-18-2 |
|---|---|
| PubChem CID | 189059 |
| 分子式 | C24H40O5 |
| IUPAC 名称 | (4R)-4-[(3R,5R,6S,8R,9S,10R,12S,13R,14S,17R)-3,6,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
| UNII（FDA） | NS00121547 |
| Molecular Weight | 408.6 |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 408.28757437 |
| Monoisotopic Mass | 408.28757437 |
| Topological Polar Surface Area | 98 |
| Heavy Atom Count | 29 |
| LogP | 2.8 |
|---|
21066-18-2; 3,6,12-Trihydroxycholanoic acid; 3,6,12-TCNA; Cholan-24-oic acid, 3,6,12-trihydroxy-, (3alpha,5beta,6alpha,12alpha)-; RefChem:905947; 3 alpha,6 alpha,12 alpha-trihydroxy-5 beta-cholanoic acid; (3alpha,5beta,6alpha,12alpha)-3,6,12-Trihydroxycholan-24-oic acid; 3alpha,6alpha,12alpha-Trihydroxy-5beta-cholan-24-oic Acid; 3alpha,6alpha,12alpha-Trihydroxy-5beta-cholanoic acid; 3a,6a,12a-trihydroxy-5b-cholan-24-oic acid; SCHEMBL10696837; DTXSID90864976; LMST04010080; 3alpha,6alpha,12alpha-Trihydroxycholic acid; NS00121547; Q63393132
(3a,5b,6a,12a)-3,6,12-三羟基-胆烷-24-油酸 · CAS 21066-18-2 · C24H40O5. UNII NS00121547. LogP: 2.8.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.